- InChI
- InChI=1S/C10H17ClO3/c1-3-5-8(2)14-10(13)7-4-6-9(11)12/h8H,3-7H2,1-2H3
- InChI Key
- YPYDCFWIMANHOY-UHFFFAOYSA-N
- Formula
- C10H17ClO3
- SMILES
- CCCC(C)OC(=O)CCCC(=O)Cl
- Molecular Weight1
- 220.69
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -738.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.56 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.654 | Crippen Calculated Property | |
| McVol | 173.010 | ml/mol | McGowan Calculated Property |
| Inp | [1436.00; 1436.00] |
|
|
| Inp | 1436.00 | NIST | |
| Inp | 1436.00 | NIST | |
| Tboil | 506.98 | K | Relay (1.0) Calculated Property |
| Tfus | 231.54 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.97; 541.17] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.77750e+01 | |||
| Coefficient B | 8.83740e-01 | |||
| Coefficient C | -4.30500e-04 | |||
| Coefficient D | 5.01600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 247.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 298.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 344.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 385.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 422.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 454.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 482.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 505.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 525.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 541.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0044782; 0.0002587] | Pa×s | [309.64; 534.78] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.21812e+01 | |||
| Coefficient B | 2.09709e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 309.64 | |||
| Temperature range, max. | 534.78 | |||
| η | 0.0044782 | Pa×s | 309.64 | Calculated Property |
| η | 0.0026992 | Pa×s | 334.66 | Calculated Property |
| η | 0.0017457 | Pa×s | 359.67 | Calculated Property |
| η | 0.0011948 | Pa×s | 384.69 | Calculated Property |
| η | 0.0008565 | Pa×s | 409.70 | Calculated Property |
| η | 0.0006380 | Pa×s | 434.72 | Calculated Property |
| η | 0.0004907 | Pa×s | 459.73 | Calculated Property |
| η | 0.0003878 | Pa×s | 484.75 | Calculated Property |
| η | 0.0003136 | Pa×s | 509.76 | Calculated Property |
| η | 0.0002587 | Pa×s | 534.78 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monochloride, 2-pentyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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